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900073 Sigma-Aldrich

Sodium taurodeoxycholate-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

Synonym: Taurodeoxycholic-2,2,4,4-d4 acid sodium salt

  • Linear Formula C26D4H40NO6SNa

  • Molecular Weight 525.71

  •  PubChem Substance ID 329769770

  •  NACRES NA.12

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Properties

Related Categories Alphabetical Listings, Metabolites, Metabolites and Bioactive Compounds, Q-S, Stable Isotopes More...
Quality Level   200
isotopic purity   ≥98 atom % D
assay   ≥98% (CP)
application(s)   mass spectrometry (MS): suitable
mass shift   M+4
SMILES string   C[C@@]12C(CC[C@H]2[C@H](C)CCC(NCCS(=O)(O[Na])=O)=O)C3CCC4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3C[C@@H]1O
InChI   1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22?,23+,25+,26-;/m1./s1/i10D2,14D2;
InChI key   YXHRQQJFKOHLAP-DAGKUMDOSA-M
Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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Certificate of Analysis (COA)

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